| Properties | Image |
|---|
| MNX_ID | MNXM1195847 |
 |
| reference | envipathM:...8343bdc93449 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | YDDXSNUREUJBKZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-25(43)10-24-23(26(44)11-27(45)37(17)20-7-33(50)52-16-20)6-5-21-8-22(9-32(49)41(21,24)4)55-34-13-29(47)39(19(3)54-34)57-36-14-30(48)40(31(15-42)56-36)58-35-12-28(46)38(51)18(2)53-35/h7,17-19,21-24,27-32,34-40,42,45-49,51H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C(=O)CC(O)C(C7=CC(=O)OC7)C(C)C(=O)CC65)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-25(43)10-24-23(26(44)11-27(45)37(17)20-7-33(50)52-16-20)6-5-21-8-22(9-32(49)41(21,24)4)55-34-13-29(47)39(19(3)54-34)57-36-14-30(48)40(31(15-42)56-36)58-35-12-28(46)38(51)18(2)53-35/h7,17-19,21-24,27-32,34-40,42,45-49,51H,5-6,8-16H2,1-4H3/t17?,18?,19?,21?,22?,23?,24?,27?,28?,29?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:25](=[O:43])[CH2:10][CH:24]2[CH:23]([CH2:6][CH2:5][CH:21]3[CH2:8][CH:22]([O:55][CH:34]4[CH2:13][CH:29]([OH:47])[CH:39]([O:57][CH:36]5[CH2:14][CH:30]([OH:48])[CH:40]([O:58][CH:35]6[CH2:12][CH:28]([OH:46])[CH:38]([OH:51])[CH:18]([CH3:2])[O:53]6)[CH:31]([CH2:15][OH:42])[O:56]5)[CH:19]([CH3:3])[O:54]4)[CH2:9][CH:32]([OH:49])[C:41]32[CH3:4])[C:26](=[O:44])[CH2:11][CH:27]([OH:45])[CH:37]1[C:20]1=[CH:7][C:33](=[O:50])[O:52][CH2:16]1 |
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